2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol

C13H21F2N3O — CID 107486212

IUPAC2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1cccc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C13H21F2N3O/c1-2-6-16-13-5-3-4-11(17-13)9-18(7-8-19)10-12(14)15/h3-5,12,19H,2,6-10H2,1H3,(H,16,17)
InChIKeyVARVDNXOZJINBA-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.96
Rot. Bonds9

About 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol (PubChem CID 107486212) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
PubChem CID107486212
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1cccc(CN(CCO)CC(F)F)n1
InChIInChI=1S/C13H21F2N3O/c1-2-6-16-13-5-3-4-11(17-13)9-18(7-8-19)10-12(14)15/h3-5,12,19H,2,6-10H2,1H3,(H,16,17)
InChIKeyVARVDNXOZJINBA-UHFFFAOYSA-N
XLogP1.96
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
CID 79230668
6-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243172
2-[2-hydroxyethyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79243182
2-[2-hydroxyethyl-[6-(propylamino)-2-pyridinyl]amino]ethanol
CID 80797618
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
CID 79234138
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243725
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 107485986
6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243620
3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
CID 79243775

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol (CID 107486212) is 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol is CCCNc1cccc(CN(CCO)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
The InChIKey is VARVDNXOZJINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-2-6-16-13-5-3-4-11(17-13)9-18(7-8-19)10-12(14)15/h3-5,12,19H,2,6-10H2,1H3,(H,16,17).
What are the key properties of 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol has a molecular weight of 273.33 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol is sourced from PubChem (CID 107486212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).